Molecule

ID:130754

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₄O₂
Molecular Mass
234.25446
Exact Mass
234.11167571
Charge
0
InChI
InChI=1S/C11H14N4O2/c1-7-5-9(16-3)13-11(12-7)15-10(17-4)6-8(2)14-15/h5-6H,1-4H3
InChIKey
RHAXSHUQNIEUEY-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C)nc(n1)n1nc(cc1OC)C
Isomeric Smiles
Cc1cc(nc(n1)n1c(cc(n1)C)OC)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.4452443
LogD (pH = 7.4)
1.4454833
Log P
1.4454863
Molar Refractivity
62.7062
Polarizability
23.56353
Polar Surface Area
62.06
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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